Drug ID:   | NPD2527 |
Drug Name:   | Riboflavin |
Molecular Formula:   | C17H20N4O6 |
Canonical SMILES:   | OC[C@H]([C@H]([C@H](Cn1c2cc(C)c(cc2nc2c1nc(=O)nc2O)C)O)O)O |
Standard InCHI:   | InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 |
Standard InCHIKey:   | AUNGANRZJHBGPY-SCRDCRAPSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
High Similarity | 1.0 | NPC94167 |
High Similarity | 1.0 | NPC172937 |
High Similarity | 0.9536 | NPC300631 |
Intermediate Similarity | 0.7039 | NPC328683 |
Intermediate Similarity | 0.7039 | NPC283130 |
Remote Similarity | 0.6957 | NPC158055 |
Remote Similarity | 0.686 | NPC154478 |
Remote Similarity | 0.6647 | NPC84317 |
Remote Similarity | 0.6596 | NPC471195 |
Remote Similarity | 0.6596 | NPC471196 |
Remote Similarity | 0.6584 | NPC53044 |
Remote Similarity | 0.6481 | NPC325479 |
Remote Similarity | 0.6471 | NPC324445 |
Remote Similarity | 0.646 | NPC226662 |
Remote Similarity | 0.6437 | NPC471132 |
Remote Similarity | 0.6405 | NPC288232 |
Remote Similarity | 0.6378 | NPC133261 |
Remote Similarity | 0.6369 | NPC113056 |
Remote Similarity | 0.6369 | NPC138293 |
Remote Similarity | 0.6348 | NPC27904 |
Remote Similarity | 0.6324 | NPC14849 |
Remote Similarity | 0.631 | NPC243162 |
Remote Similarity | 0.6303 | NPC184437 |
Remote Similarity | 0.6296 | NPC197680 |
Remote Similarity | 0.6296 | NPC259098 |
Remote Similarity | 0.629 | NPC182057 |
Remote Similarity | 0.629 | NPC131450 |
Remote Similarity | 0.629 | NPC147298 |
Remote Similarity | 0.6281 | NPC295548 |
Remote Similarity | 0.6271 | NPC477157 |
Remote Similarity | 0.6271 | NPC477156 |
Remote Similarity | 0.6269 | NPC470786 |
Remote Similarity | 0.6257 | NPC68650 |
Remote Similarity | 0.6236 | NPC104345 |
Remote Similarity | 0.623 | NPC473815 |
Remote Similarity | 0.6226 | NPC252878 |
Remote Similarity | 0.6219 | NPC225400 |
Remote Similarity | 0.6218 | NPC313449 |
Remote Similarity | 0.6216 | NPC328611 |
Remote Similarity | 0.6207 | NPC321617 |
Remote Similarity | 0.6188 | NPC471155 |
Remote Similarity | 0.6188 | NPC474082 |
Remote Similarity | 0.6188 | NPC472538 |
Remote Similarity | 0.6188 | NPC175726 |
Remote Similarity | 0.6188 | NPC46427 |
Remote Similarity | 0.6185 | NPC472100 |
Remote Similarity | 0.6168 | NPC300299 |
Remote Similarity | 0.6158 | NPC270241 |
Remote Similarity | 0.6158 | NPC245741 |
Remote Similarity | 0.615 | NPC326575 |
Remote Similarity | 0.6133 | NPC71079 |
Remote Similarity | 0.6133 | NPC85651 |
Remote Similarity | 0.6129 | NPC248862 |
Remote Similarity | 0.6127 | NPC116519 |
Remote Similarity | 0.6126 | NPC307396 |
Remote Similarity | 0.6126 | NPC62510 |
Remote Similarity | 0.6115 | NPC192209 |
Remote Similarity | 0.6101 | NPC476990 |
Remote Similarity | 0.6099 | NPC474217 |
Remote Similarity | 0.6096 | NPC129624 |
Remote Similarity | 0.6096 | NPC472122 |
Remote Similarity | 0.6096 | NPC475607 |
Remote Similarity | 0.6096 | NPC24594 |
Remote Similarity | 0.6092 | NPC264589 |
Remote Similarity | 0.6091 | NPC97100 |
Remote Similarity | 0.6091 | NPC473375 |
Remote Similarity | 0.6085 | NPC475685 |
Remote Similarity | 0.608 | NPC106118 |
Remote Similarity | 0.6077 | NPC477158 |
Remote Similarity | 0.6069 | NPC472103 |
Remote Similarity | 0.6066 | NPC85918 |
Remote Similarity | 0.6066 | NPC471130 |
Remote Similarity | 0.6065 | NPC296163 |
Remote Similarity | 0.6064 | NPC474081 |
Remote Similarity | 0.6062 | NPC202521 |
Remote Similarity | 0.6061 | NPC314431 |
Remote Similarity | 0.6061 | NPC471199 |
Remote Similarity | 0.6057 | NPC254798 |
Remote Similarity | 0.6053 | NPC164802 |
Remote Similarity | 0.6047 | NPC477155 |
Remote Similarity | 0.6044 | NPC476231 |
Remote Similarity | 0.6044 | NPC472117 |
Remote Similarity | 0.6044 | NPC88970 |
Remote Similarity | 0.6043 | NPC475594 |
Remote Similarity | 0.6037 | NPC476950 |
Remote Similarity | 0.6033 | NPC278366 |
Remote Similarity | 0.6033 | NPC127730 |
Remote Similarity | 0.6032 | NPC475094 |
Remote Similarity | 0.6021 | NPC19679 |
Remote Similarity | 0.6021 | NPC477159 |
Remote Similarity | 0.6012 | NPC325013 |
Remote Similarity | 0.601 | NPC291759 |
Remote Similarity | 0.601 | NPC282092 |
Remote Similarity | 0.6 | NPC287358 |
Remote Similarity | 0.6 | NPC187827 |
Remote Similarity | 0.6 | NPC469462 |
Remote Similarity | 0.6 | NPC101372 |
Remote Similarity | 0.6 | NPC472105 |
Remote Similarity | 0.599 | NPC470003 |
Remote Similarity | 0.5989 | NPC320064 |
Remote Similarity | 0.5988 | NPC6975 |
Remote Similarity | 0.5988 | NPC476685 |
Remote Similarity | 0.5988 | NPC476687 |
Remote Similarity | 0.5988 | NPC476689 |
Remote Similarity | 0.5979 | NPC68354 |
Remote Similarity | 0.5977 | NPC314186 |
Remote Similarity | 0.5972 | NPC248601 |
Remote Similarity | 0.597 | NPC470497 |
Remote Similarity | 0.5968 | NPC280548 |
Remote Similarity | 0.5967 | NPC62104 |
Remote Similarity | 0.5967 | NPC1390 |
Remote Similarity | 0.5966 | NPC212799 |
Remote Similarity | 0.5965 | NPC83214 |
Remote Similarity | 0.5964 | NPC9856 |
Remote Similarity | 0.5962 | NPC187036 |
Remote Similarity | 0.596 | NPC221687 |
Remote Similarity | 0.5959 | NPC133591 |
Remote Similarity | 0.5957 | NPC472586 |
Remote Similarity | 0.5956 | NPC35510 |
Remote Similarity | 0.5956 | NPC253667 |
Remote Similarity | 0.5955 | NPC475763 |
Remote Similarity | 0.5952 | NPC471192 |
Remote Similarity | 0.5947 | NPC475761 |
Remote Similarity | 0.5947 | NPC270009 |
Remote Similarity | 0.5947 | NPC472443 |
Remote Similarity | 0.5947 | NPC474041 |
Remote Similarity | 0.5939 | NPC319766 |
Remote Similarity | 0.5938 | NPC472110 |
Remote Similarity | 0.5938 | NPC139291 |
Remote Similarity | 0.5938 | NPC472109 |
Remote Similarity | 0.5938 | NPC472108 |
Remote Similarity | 0.5934 | NPC291359 |
Remote Similarity | 0.593 | NPC472539 |
Remote Similarity | 0.593 | NPC472540 |
Remote Similarity | 0.593 | NPC470787 |
Remote Similarity | 0.5928 | NPC207033 |
Remote Similarity | 0.5928 | NPC38823 |
Remote Similarity | 0.5924 | NPC205652 |
Remote Similarity | 0.5924 | NPC313757 |
Remote Similarity | 0.5919 | NPC472207 |
Remote Similarity | 0.5917 | NPC313352 |
Remote Similarity | 0.5916 | NPC15840 |
Remote Similarity | 0.5915 | NPC474926 |
Remote Similarity | 0.5909 | NPC478039 |
Remote Similarity | 0.5902 | NPC73655 |
Remote Similarity | 0.5901 | NPC326232 |
Remote Similarity | 0.59 | NPC472542 |
Remote Similarity | 0.59 | NPC472541 |
Remote Similarity | 0.5896 | NPC2823 |
Remote Similarity | 0.5896 | NPC22082 |
Remote Similarity | 0.5896 | NPC470301 |
Remote Similarity | 0.5896 | NPC186284 |
Remote Similarity | 0.5894 | NPC113326 |
Remote Similarity | 0.5894 | NPC88267 |
Remote Similarity | 0.5894 | NPC224610 |
Remote Similarity | 0.5894 | NPC194390 |
Remote Similarity | 0.5892 | NPC470508 |
Remote Similarity | 0.5892 | NPC472106 |
Remote Similarity | 0.5888 | NPC276430 |
Remote Similarity | 0.5888 | NPC243716 |
Remote Similarity | 0.5886 | NPC101139 |
Remote Similarity | 0.5885 | NPC475962 |
Remote Similarity | 0.588 | NPC313884 |
Remote Similarity | 0.588 | NPC98371 |
Remote Similarity | 0.5873 | NPC189812 |
Remote Similarity | 0.5873 | NPC275305 |
Remote Similarity | 0.5873 | NPC329688 |
Remote Similarity | 0.5873 | NPC37423 |
Remote Similarity | 0.5873 | NPC475097 |
Remote Similarity | 0.5872 | NPC476259 |
Remote Similarity | 0.5872 | NPC163392 |
Remote Similarity | 0.5872 | NPC239762 |
Remote Similarity | 0.5871 | NPC149708 |
Remote Similarity | 0.5871 | NPC470499 |
Remote Similarity | 0.587 | NPC472120 |
Remote Similarity | 0.587 | NPC471052 |
Remote Similarity | 0.587 | NPC471053 |
Remote Similarity | 0.587 | NPC472101 |
Remote Similarity | 0.587 | NPC471051 |
Remote Similarity | 0.5864 | NPC89987 |
Remote Similarity | 0.5862 | NPC52748 |
Remote Similarity | 0.5862 | NPC471512 |
Remote Similarity | 0.586 | NPC278887 |
Remote Similarity | 0.5858 | NPC287401 |
Remote Similarity | 0.5855 | NPC472444 |
Remote Similarity | 0.5852 | NPC470824 |
Remote Similarity | 0.5851 | NPC158129 |
Remote Similarity | 0.5849 | NPC15384 |
Remote Similarity | 0.5849 | NPC244425 |
Remote Similarity | 0.5842 | NPC471743 |
Remote Similarity | 0.5842 | NPC476441 |
Remote Similarity | 0.5842 | NPC32200 |
Remote Similarity | 0.5838 | NPC22883 |
Remote Similarity | 0.5838 | NPC95783 |
Remote Similarity | 0.5838 | NPC210377 |
Remote Similarity | 0.5838 | NPC5719 |
Remote Similarity | 0.5838 | NPC217804 |
Remote Similarity | 0.5838 | NPC207554 |
Remote Similarity | 0.5837 | NPC320968 |
Remote Similarity | 0.5833 | NPC285381 |
Molecular Weight   | 376.14 |
ALogP   | -2.2465 |
MLogP   | 2.23 |
XLogP   | 0.067 |
HDA   | 10 |
HBD   | 5 |
Rotatable Bonds   | 12 |
TPSA   | 158.54 |
RO5 Violation   | 0 |